1-[2-[[4-[(2-azanyl-3-cyano-4,5-dimethyl-pyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[[4-[(2-azanyl-3-cyano-4,5-dimethyl-pyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[[4-[(2-amino-3-cyano-4,5-dimethyl-pyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[[4-[(2-amino-3-cyano-4,5-dimethyl-1-pyrrolyl)methyl]phenoxy]methyl]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[[4-[(2-amino-3-cyano-4,5-dimethylpyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[[4-[(2-amino-3-cyano-4,5-dimethyl-pyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C32H29N7O2 MolecularWeight: 543.61836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N)CC2=CC=C(C=C2)OCC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N)CC2=CC=C(C=C2)OCC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C32H29N7O2/c1-21-22(2)39(31(34)27(21)18-33)19-23-12-14-26(15-13-23)41-20-25-10-6-7-11-28(25)35-32(40)36-30-17-16-29(37-38-30)24-8-4-3-5-9-24/h3-17H,19-20,34H2,1-2H3,(H2,35,36,38,40)